4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide

C21H26ClN3O — CID 134799550

IUPAC4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCN(C(=O)N(C)C)CC2)cc1Cl
InChIInChI=1S/C21H26ClN3O/c1-16-8-9-17(14-20(16)22)19-7-5-4-6-18(19)15-24-10-12-25(13-11-24)21(26)23(2)3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyBZCZVWDTXFJRJI-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.11
Rot. Bonds3

About 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide

4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 134799550) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID134799550
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1ccc(-c2ccccc2CN2CCN(C(=O)N(C)C)CC2)cc1Cl
InChIInChI=1S/C21H26ClN3O/c1-16-8-9-17(14-20(16)22)19-7-5-4-6-18(19)15-24-10-12-25(13-11-24)21(26)23(2)3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyBZCZVWDTXFJRJI-UHFFFAOYSA-N
XLogP4.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1,1-dimethylurea
CID 146025779
1-[(2,4-Dichlorophenyl)(phenyl)methyl]-4-(piperidin-1-ylcarbonyl)piperazine
CID 44177146
N-cyclohexyl-4-((2,5-dichlorophenyl)(phenyl)methyl)piperazine-1-carboxamide
CID 44177475
4-(3-chlorophenyl)-N,N,7,8-tetramethyl-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CID 24901543
N-tert-Butyl-4-((2-chlorophenyl)(4-chlorophenyl)-methyl)piperazine-1-carboxamide
CID 44560241
4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44560242
4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cycloheptylpiperazine-1-carboxamide
CID 44560243
N-tert-Butyl-4-((4-chlorophenyl)(o-tolyl)methyl)piperazine-1-carboxamide
CID 44560270
4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 44573966
1-[(2-Chlorophenyl)methyl]-3-[2-(1,3-dihydro-2H-isoindol-2-yl)ethyl]-2-imidazolidinone
CID 45269860
1-[(3-Chlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45271499
N-((3''-chlorobiphenyl-4-yl)methyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 46883509

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 134799550) is 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide is Cc1ccc(-c2ccccc2CN2CCN(C(=O)N(C)C)CC2)cc1Cl.
What is the InChIKey of 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is BZCZVWDTXFJRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-16-8-9-17(14-20(16)22)19-7-5-4-6-18(19)15-24-10-12-25(13-11-24)21(26)23(2)3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 134799550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).